SCHEMBL2390778

SCHEMBL2390778

N#CC(c1ccccc1)(c1ccccc1)c1ccc(Cl)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 2/20 0.44
TSHR P16473 3/20 0.43
CYP1A2 P05177 1/20 0.42
CCR1 P32246 6/20 0.41
CCR3 P51677 1/20 0.40
BCL2 P10415 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
MAPK1 P28482 1/20 0.38
HIF1A Q16665 1/20 0.38
CHRM2 P08172 1/20 0.37
HTR1A P08908 1/20 0.37
ADRA2A P08913 1/20 0.37
CHRM1 P11229 1/20 0.37
DRD1 P21728 1/20 0.37
TBXA2R P21731 1/20 0.37
ACHE P22303 1/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
ADRA1A P35348 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1444134 0.85 ATM (0.45) TSHRCCR3MAPK1OPRM1DRD3
SCHEMBL11487418 0.83 KIF11 (0.42) KIF11TSHRCYP1A2CCR1CCR3
Hydrochloric Acid SCHEMBL27736129 0.81 KIF11 (0.41) KIF11TSHRCYP1A2CCR1CCR3
SCHEMBL5591855 0.80 ALDH1A1 (0.60) TSHRCYP1A2CCR3MEN1KMT2A
SCHEMBL1443801 0.77 KCNN4 (0.47) KIF11TSHRCCR1MEN1KMT2A
SCHEMBL2392348 0.77 KCNN4 (0.47) KIF11TSHRCCR1MEN1KMT2A
SCHEMBL2422356 0.77 ESR2 (0.56) KIF11TSHRMEN1KMT2ASLC6A2
SCHEMBL17817924 0.77 TSHR (0.43) KIF11TSHRCYP1A2MEN1KMT2A
SCHEMBL27839435 0.77 CYP2D6 (0.49) KIF11CCR1CCR3CHRM2CHRM1
SCHEMBL3949150 0.75 TSHR (0.53) KIF11TSHRCYP1A2BCL2MEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8026263-B2 Methods for inhibiting neoproliferative changes in blood vessel walls THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-09-27 US disclosed
US-8026263-B2 Methods for inhibiting neoproliferative changes in blood vessel walls THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-09-27 US disclosed
US-8026263-B2 Methods for inhibiting neoproliferative changes in blood vessel walls THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-09-27 US disclosed
US-20090048270-A1 Compounds, Methods And Devices for Inhibiting Neoproliferative Changes in Blood Vessel Walls NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-02-19 US disclosed
US-20070293554-A1 Non-peptide inhibition of T-lymphocyte activation and therapies related thereto THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2007-12-20 US disclosed
US-7235577-B1 Non-peptide inhibition of T-lymphocyte activation and therapies related thereto THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2007-06-26 US disclosed
US-7235577-B1 Non-peptide inhibition of T-lymphocyte activation and therapies related thereto THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2007-06-26 US disclosed
US-7235577-B1 Non-peptide inhibition of T-lymphocyte activation and therapies related thereto THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2007-06-26 US disclosed
EP-1562590-A4 COMPOUNDS, METHODS AND DEVICES FOR INHIBITING NEOPROLIFERATIVE CHANGES IN BLOOD VESSEL WALLS UNIV CALIFORNIA (US) 2006-04-05 EP disclosed
EP-1562590-A2 COMPOUNDS, METHODS AND DEVICES FOR INHIBITING NEOPROLIFERATIVE CHANGES IN BLOOD VESSEL WALLS The Regents of the University of California (US) 2005-08-17 EP disclosed
EP-1248614-A4 NON-PEPTIDE INHIBITION OF T-LYMPHOCYTE ACTIVATION AND THERAPIES RELATED THERETO UNIV CALIFORNIA (US) 2005-05-04 EP disclosed
US-6803375-B1 IMMUNOMODULATION IN A MAMMALIAN PATIENT WITHOUT CAUSING SUBSTANTIAL INHIBITION OF CYTOCHROME P-450 THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2004-10-12 US disclosed
WO-2004039330-A2 COMPOUNDS, METHODS AND DEVICES FOR INHIBITING NEOPROLIFERATIVE CHANGES IN BLOOD VESSEL WALLS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2004-05-13 WO disclosed
EP-1248614-A2 NON-PEPTIDE INHIBITION OF T-LYMPHOCYTE ACTIVATION AND THERAPIES RELATED THERETO The Regents of The University of California (US) 2002-10-16 EP disclosed
WO-2001049663-A2 NON-PEPTIDE INHIBITION OF T-LYMPHOCYTE ACTIVATION AND THERAPIES RELATED THERETO THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2001-07-12 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090048270-A1 Compounds, Methods And Devices for Inhibiting Neoproliferative Changes in Blood Vessel Walls PGF, VEGFA, MKI67 KIF11 2931/4885TSHR 4432/4885CYP1A2 4416/4885
US-20070293554-A1 Non-peptide inhibition of T-lymphocyte activation and therapies related thereto NFATC1, ORAI1, KCNMA1 KIF11 4687/4885TSHR 3285/4885CYP1A2 915/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.